Methyl 5-hydroxy-2-methoxybenzoate

HCID 592162

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部分構造検索類似構造を探す

基本情報

CAS: 87513-63-1
標準SMILES: COC(=O)c1cc(O)ccc1OC
InChIKey: ZKVWSXCKPJLMRC-UHFFFAOYSA-N
分子式: C9H10O4
平均分子量: 182.17 g/mol
単同位体質量: 182.0579088

名称と識別子

優先名称: Methyl 5-hydroxy-2-methoxybenzoate
IUPAC: methyl 5-hydroxy-2-methoxybenzoate
英語名: methyl 5-hydroxy-2-methoxybenzoate
分子式: C9H10O4
分子量: 182.17

名称と別名

Methyl 5-hydroxy-2-methoxybenzoate87513-63-1DTXSID20343784RefChem:157687DTXCID00294861Benzoic acid, 5-hydroxy-2-methoxy-, methyl esterMFCD01940408SCHEMBL7619139CHEMBL2252124SCHEMBL31009365Methyl5-hydroxy-2-methoxybenzoatemethyl 2-methoxy-5-hydroxybenzoate

名称をさらに表示

methyl 5-hydroxy-2-methoxy-benzoateAKOS006278511Methyl 5-hydroxy-2-methoxybenzoate #DA-17906CS-0195852E89616AN-907/25060020F633028

データベース識別子

CAS: 87513-63-1
PubChem CID: 592162
DTXSID: DTXSID20343784
ChEMBL: CHEMBL2252124
EC Number: 103-282-4
Nikkaji: J1.398.324K

物性

構造計算による物性

XLogP: 1.7
極性表面積: 55.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 180

物理化学的性質

沸点: 328.3 · 328.3±22.0 °C(Predicted)
比重(密度): 1.216 · 1.216±0.06 g/cm3(Predicted)
酸解離定数(Pka): 9 · 9+-.0.18(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.